9D9H

Human Hsp90b nucleotide binding domain in complex with BRI2311

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-06
Detector	DECTRIS EIGER R 1M
Wavelength(s)	1.542
Spacegroup name	I 2 2 2
Unit cell lengths	67.348, 89.841, 97.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.510 - 1.960
R-factor	0.16479
Rwork	0.163
R-free	0.20775
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.510	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.083	0.754
Rmeas	0.091	0.897
Rpim	0.038	0.474
Total number of observations		4863
Number of reflections	21410	1476
<I/σ(I)>	12.3	1.7
Completeness [%]	99.5
Redundancy	5.3	3.3
CC(1/2)	0.998	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	21% PEG8000, 0.1M Hepes pH 7.5,1M LiCl