6U3L

Crystal structure of Hemerythrin HHE cation binding domain-containing protein: Rv2633c homolog from Mycobacterium kansasii

Replaces:  6PIE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-21
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	52.050, 52.050, 104.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.080 - 1.750
R-factor	0.1819
Rwork	0.178
R-free	0.21790
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.041	0.020	0.639
Rmeas	0.044	0.022	0.716
Number of reflections	17189	234	1264
<I/σ(I)>	24.94	62.2	2.18
Completeness [%]	100.0	98.7	99.9
Redundancy	6.91	5.615	4.944
CC(1/2)	1.000	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	MCSG-1 screen F3: 200mM ammonium citrate, 25% PEG 3350: MykaA.20209.a.B11.PB00101 at 2mg/ml, grown at 14C: cryo: 20% EG: tray 308332F3: puck vlf8-4. For experimental phasing, a crystal from MCSG-1 screen, condition F3 (200mM ammonium citrate, 25% PEG 3350) with MykaA.20209.a B1.PB00101 at 3mg/ml, grown at 14C, was incubated for 15 sec each in a solution of 90% reservoir and 10% 2.5M sodium iodide in ethylene glycol, and then in a solution of 80% reservoir and 20% 2.5M sodium iodide in ethylene glycol, and vitrified in liquid nitrogen: tray 308326f3: puck fdn8-5
1	VAPOR DIFFUSION, SITTING DROP		290	MCSG-1 screen F3: 200mM ammonium citrate, 25% PEG 3350: MykaA.20209.a.B11.PB00101 at 2mg/ml, grown at 14C: cryo: 20% EG: tray 308332F3: puck vlf8-4. For experimental phasing, a crystal from MCSG-1 screen, condition F3 (200mM ammonium citrate, 25% PEG 3350) with MykaA.20209.a B1.PB00101 at 3mg/ml, grown at 14C, was incubated for 15 sec each in a solution of 90% reservoir and 10% 2.5M sodium iodide in ethylene glycol, and then in a solution of 80% reservoir and 20% 2.5M sodium iodide in ethylene glycol, and vitrified in liquid nitrogen: tray 308326f3: puck fdn8-5