5OOG

Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	40.261, 49.474, 107.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.951 - 1.330
R-factor	0.1183
Rwork	0.117
R-free	0.14510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hdo
RMSD bond length	0.011
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.350
High resolution limit [Å]	1.330	1.330
Rmerge	0.100	0.591
Rmeas	0.108	0.727
Rpim	0.038	0.410
Number of reflections	49752	1958
<I/σ(I)>	12.4
Completeness [%]	98.9	81
Redundancy	6.7	2.5
CC(1/2)	0.997	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH 6.5. NADP ADDED TO A FINAL CONCENTRATION OF 2.5 MM