6PLE

Crystal structure of MhuD R26S mutant in complex with biliverdin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	37.220, 113.610, 113.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.174 - 2.500
R-factor	0.2367
Rwork	0.231
R-free	0.28470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nl5
RMSD bond length	0.009
RMSD bond angle	1.516
Data reduction software	MOSFLM
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.350	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.092	0.592
Rmeas	0.095	0.613
Rpim	0.026	0.160
Total number of observations	120788	13587
Number of reflections	8717	943
<I/σ(I)>	22.5	8.9
Completeness [%]	100.0	100
Redundancy	13.9	14.4
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M HEPES pH 6.5, 4.6 M NaCl, 30 mM glycyl-glycyl-glycine