7CYR

The closed conformation of MSMEG_1954 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	P 21 21 21
Unit cell lengths	53.574, 61.236, 117.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.321 - 2.050
R-factor	0.1806
Rwork	0.178
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yjz
RMSD bond length	0.005
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.046	5.560	2.050
Rmerge	0.081	0.036	0.422
Rmeas	0.084	0.038	0.438
Rpim	0.024	0.011	0.117
Number of reflections	24869	1356	1224
<I/σ(I)>	9.4
Completeness [%]	99.3	97.6	100
Redundancy	13.3	12.1	14
CC(1/2)		0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium acetate, 0.1M Hepes (pH7.5), 25% w/v PEG 3350